Binding information for 2fgv_ligand_1_0.mol2(FDBF02775)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fgv_ligand_1_0.mol2 | 2fgv | 1 | -6.38 | n1c(ccc2ccccc12)C(=O)N | 13 |
Structure and binding mode of 2fgv_ligand_1_0.mol2(FDBF02775)
Important binding residues for 2fgv_ligand_1_0.mol2(FDBF02775)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fgv | ALA28 | -0.55 | -1.26 | -1.81 | 0.54 | -1.27 |
| 2fgv | ASP29 | -1.32 | 0.70 | -0.62 | -0.43 | -1.05 |
| 2fgv | GLY49 | -0.67 | -0.29 | -0.96 | 0.41 | -0.55 |
| 2fgv | PHE53 | -0.44 | -0.03 | -0.47 | 0.04 | -0.44 |
| 2fgv | PRO81 | -0.87 | -0.18 | -1.05 | 0.00 | -1.04 |
| 2fgv | VAL82 | -0.42 | -0.01 | -0.43 | -0.00 | -0.43 |
